NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 I 4.4830 8.0201 120.7982 61.5001 40.2872 174.8686 11 A 3.9132 7.4842 127.6742 49.4539 21.3080 174.8270 12 P 4.7656 0.0000 0.0000 64.4834 32.8059 174.4977 13 Y 4.0530 6.9773 117.4783 58.2714 38.0533 174.8901 14 P 4.1508 0.0000 0.0000 62.7539 31.6101 176.1291 15 Q 4.1403 8.5114 123.5672 55.2761 29.7247 175.3918 16 A 4.0948 8.7243 125.7885 52.6760 18.9289 177.5371 17 E 4.1571 8.6009 123.4044 55.0278 30.6152 175.7173 18 K 4.0830 8.3975 123.7173 58.1728 32.6204 175.9610 19 G 4.0980 9.2882 114.1434 44.1341 0.0000 172.6534 20 M 5.0638 7.7004 117.8401 53.3824 34.8313 173.9746 21 K 4.8307 9.1063 118.4896 55.8564 36.9192 174.8441 22 R 4.7421 8.5248 119.8112 54.4861 32.5015 174.4806 23 Q 4.6155 8.6872 124.3111 53.9963 32.4498 174.4676 24 V 4.7566 8.3663 122.4509 61.0391 34.7102 174.5105 25 I 4.3871 8.6244 127.3899 59.4595 40.1788 174.1080 26 Q 4.6378 8.5626 128.6962 54.1817 30.3638 175.2732 27 L 4.2870 8.2749 126.8791 54.4527 42.9236 176.0802 28 T 4.6776 7.9038 116.3019 60.9813 70.4325 173.1727 29 P 4.6163 0.0000 0.0000 63.3908 31.9114 175.6190 30 Q 4.6443 8.6731 122.6562 54.3051 32.3153 176.3165 31 E 4.0299 8.7197 116.1444 58.7046 29.7657 177.7452 32 D 4.5181 7.5398 118.0543 53.1633 41.9118 174.6781 33 E 4.0996 8.5506 124.1624 56.6187 29.8483 177.9085 34 S 4.4739 7.7637 112.6231 59.5821 63.8547 174.5665 35 T 4.7698 7.2973 112.7144 61.1063 69.0359 173.8348 36 L 5.3481 7.8732 119.3318 54.6641 46.1652 175.7470 37 K 4.9261 9.4841 119.9357 55.0854 37.6116 175.3113 38 V 4.7969 8.8340 121.4460 61.3176 34.3292 173.7229 39 E 4.9474 9.4065 130.1274 54.7889 31.0511 174.8231 40 L 4.8329 8.3965 127.7097 54.2467 43.1020 176.6080 41 L 4.6775 9.2540 123.0059 53.2544 44.7176 175.4758 42 I 4.6181 7.8920 125.5593 59.7739 39.3789 174.4215 43 G 3.5097 8.3314 115.7933 46.0487 0.0000 171.6161 44 Q 4.9530 8.0216 119.3113 54.7416 33.9496 175.0867 45 T 4.8534 8.7672 119.3518 62.9769 68.4282 173.9325 46 L 4.8599 8.4956 125.7578 52.6197 45.9474 175.8524 47 E 4.8654 8.6540 120.5545 55.7140 29.8886 176.1739 48 V 4.6063 8.8608 118.0164 59.2641 35.8448 175.7473 49 D 4.7154 8.5086 122.4346 52.2773 40.9224 175.1908 50 C 4.3566 8.6448 112.9616 57.7412 41.5369 173.7739 51 N 4.6099 8.2879 118.0583 52.9107 39.0448 174.2143 52 L 4.3835 8.2171 120.0597 54.9172 42.6538 175.9991 53 H 5.4823 9.1613 120.7503 53.0080 32.0620 173.6132 54 R 4.7791 8.4720 117.3346 54.4949 32.7634 174.5945 55 L 4.5256 9.0122 125.4663 54.8944 43.3340 175.8091 56 G 4.2524 9.9710 109.5107 43.8132 0.0000 173.3392 57 G 4.6714 7.5936 111.0105 44.2853 0.0000 171.5246 58 K 4.6254 7.9325 120.7432 54.3086 35.6250 174.3832 59 L 5.3773 8.7184 128.5845 53.6238 43.9874 175.0885 60 E 4.8227 9.3940 125.3892 54.5584 33.1111 174.4414 61 N 4.8488 8.8231 122.4529 52.7081 40.5402 174.2521 62 K 4.4241 8.3211 123.9292 54.9213 36.7381 175.2780 63 T 4.8826 8.2908 120.8411 62.2632 70.2098 174.2570 64 L 4.5121 9.5982 129.8914 54.5188 43.0204 176.1513 65 E 4.2114 8.9429 125.5845 57.9113 29.8549 177.5103 66 G 3.9590 9.1965 110.4423 45.3313 0.0000 173.6646 67 W 4.2700 7.7399 116.8477 55.4983 31.6860 176.3322 68 G 3.9815 8.3047 104.5601 46.2844 0.0000 172.7626 69 Y 5.0185 7.9171 116.4808 57.1591 39.9725 174.0003 70 D 5.5033 8.7618 121.6039 52.9231 43.2067 175.4109 71 Y 4.8710 8.5926 120.1401 55.6457 41.9350 173.4945 72 Y 5.2543 9.4671 118.5653 56.3066 41.9548 174.8011 73 V 4.9703 9.1818 121.8862 61.2853 34.6868 173.9090 74 F 5.4916 9.4085 131.6234 56.8149 40.5894 173.9851 75 D 4.6208 8.2613 127.7517 52.2095 44.0087 175.6350 76 K 3.8451 8.4248 115.8050 55.4930 28.5365 172.9206 77 V 4.5970 7.6751 120.5564 63.5562 32.0917 175.1714 78 S 4.9054 8.3648 123.9212 56.5040 65.5407 174.1167 79 S 4.5554 8.6676 119.0828 58.0177 63.5526 172.4910 80 P 5.0911 0.0000 0.0000 63.0236 31.6807 176.3059 81 V 4.3305 8.4108 116.9646 60.6834 34.1476 175.0437 82 S 5.5361 8.3758 117.8447 56.6419 67.8568 173.3322 83 T 4.2672 8.3225 111.1122 61.3386 69.7417 174.4975 84 M 4.4937 8.1806 121.2442 55.2592 32.2067 175.8593 85 M 4.5367 8.0705 115.4362 53.7627 33.8916 174.8772 86 H 4.5450 8.5146 119.3272 55.3242 30.9845 174.9548 87 C 4.9967 8.1824 123.7673 54.5110 42.8794 173.1958 88 P 4.4939 0.0000 0.0000 62.9682 29.2494 174.7804 89 D 4.9143 7.3243 119.5396 52.0557 43.4827 176.5361 *93 E 4.2531 8.2290 113.4892 57.9846 31.5085 175.4707 94 K 4.7724 8.4747 120.7580 55.6776 33.0073 176.4421 95 K 4.6438 9.0873 126.5837 54.1685 36.1835 175.1814 96 F 4.6730 9.0127 128.4231 58.4557 39.8043 174.6771 97 V 4.0687 8.6185 129.0442 61.8883 32.3156 175.6031 98 T 4.5045 8.2170 118.3840 60.7793 71.0615 173.4814 99 A 5.0066 8.6460 124.2350 50.8166 21.0656 176.9477 100 Y 4.4218 8.5658 121.0504 56.5539 37.9612 175.1592 101 L 4.1691 8.1328 128.4390 54.5931 44.0538 179.0039 102 G 3.3214 6.4448 106.1515 46.6875 0.0000 176.8256 103 D 4.2783 8.5767 125.5897 56.4282 40.8079 177.5813 104 A 4.1045 7.5260 119.6508 53.6459 18.6185 178.0299 105 G 3.6507 7.5151 103.5028 45.7778 0.0000 173.3897 106 M 4.6600 7.2682 120.4318 53.9696 31.7412 176.0437 107 L 4.5183 8.8099 125.4820 53.6308 44.1092 175.7319 108 R 4.7690 8.2210 116.4295 55.0376 31.3536 175.5728 109 Y 4.0231 8.5689 123.0601 57.6461 39.5491 175.0396 110 N 4.9377 8.4384 125.9434 52.7615 39.7529 174.2710 111 S 4.5118 8.9993 119.3928 58.9553 63.6564 176.0286 112 K 4.1669 8.1125 120.9876 58.5919 32.0419 177.2369 113 L 4.7649 7.2472 115.6044 51.9279 44.8886 174.1279 114 P 4.7145 0.0000 0.0000 62.1514 33.0441 175.2988 115 I 4.1422 8.3975 123.2357 60.7552 38.9158 175.0067 116 V 4.5300 8.2807 125.7001 61.0122 34.3534 173.9943 117 V 4.9579 8.5154 128.0415 61.2948 34.6394 173.6822 118 Y 5.6822 9.5006 125.9160 56.0776 39.6863 174.8337 119 T 5.3658 8.3622 114.0503 58.8678 72.8502 172.0503 120 P 4.8127 0.0000 0.0000 62.4893 31.9425 177.2387 121 D 4.4788 8.7890 121.4348 57.5651 40.9899 179.2385 122 N 4.5644 8.0669 114.7550 54.7014 38.1475 175.7182 123 V 4.2166 7.7212 118.1859 62.9142 32.6151 175.2050 124 D 5.0503 9.2637 124.2432 52.5704 45.2765 174.5527 125 V 4.8751 8.6071 121.4383 61.3405 33.8152 174.7630 126 K 4.9194 9.0800 125.8967 55.4556 37.0903 174.1955 127 Y 5.3019 7.6354 117.0511 56.5082 40.5644 173.9308 128 R 4.6784 9.0718 120.1839 54.7314 33.9531 173.9738 129 V 4.8336 8.5568 125.3466 62.0689 32.9138 174.8714 130 W 4.8412 9.4874 126.9646 54.7491 32.2829 174.5008 131 K 5.1171 8.6710 123.5426 54.5792 34.6113 175.2253 132 A 4.5343 8.5453 128.8968 51.1992 19.5248 177.4114 133 E 4.1496 8.7254 120.4453 56.4299 30.8713 177.2796 134 E 4.4477 8.3263 121.3398 54.2075 28.6914 176.6071 135 K 4.5249 7.1198 114.9275 56.1544 35.4975 175.6062 136 I 4.5823 8.1962 121.0200 59.9167 40.6836 174.3386 137 D 5.0343 8.6055 123.6746 52.5345 44.0952 174.8399 138 N 4.8411 8.3775 117.0087 51.7684 40.4574 174.6407 139 A 4.4614 8.1865 123.4847 50.8336 20.0653 177.6666 140 V 3.7002 8.1908 123.1654 62.4675 32.3173 175.5687 141 V 4.0073 8.2373 126.8306 62.1175 31.7307 175.9297 142 R 4.2279 8.3745 125.4571 56.4468 30.8478 175.2515 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 10 I 8.02 4.48 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.93 0.00 0.00 11 A 7.48 3.91 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.77 0.00 1.94 1.89 0.00 2.20 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.44 0.00 13 Y 6.98 4.05 0.00 2.94 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.15 0.00 1.91 1.92 0.00 3.45 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.45 0.00 15 Q 8.51 4.14 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 16 A 8.72 4.09 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.60 4.16 0.00 1.98 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.29 0.00 18 K 8.40 4.08 0.00 1.76 1.73 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.40 7.81 19 G 9.29 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 M 7.70 5.06 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.50 0.00 21 K 9.11 4.83 0.00 1.75 1.91 0.00 1.26 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.40 7.81 22 R 8.52 4.74 0.00 1.81 1.75 0.00 2.99 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.76 0.00 23 Q 8.69 4.62 0.00 1.91 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.51 0.00 0.00 0.00 0.00 0.00 2.22 2.21 0.00 24 V 8.37 4.76 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.78 0.00 0.00 25 I 8.62 4.39 1.52 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.55 -0.03 0.00 0.00 26 Q 8.56 4.64 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 7.03 0.00 0.00 0.00 0.00 0.00 2.22 2.39 0.00 27 L 8.27 4.29 0.00 1.44 1.23 0.11 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 28 T 7.90 4.68 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 29 P 0.00 4.62 0.00 2.07 2.04 0.00 3.66 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.18 0.00 30 Q 8.67 4.64 0.00 1.78 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.98 0.00 0.00 0.00 0.00 0.00 2.23 1.77 0.00 31 E 8.72 4.03 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.87 0.00 32 D 7.54 4.52 0.00 2.66 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.55 4.10 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.38 0.00 34 S 7.76 4.47 0.00 4.06 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 T 7.30 4.77 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 36 L 7.87 5.35 0.00 1.38 1.59 0.23 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 37 K 9.48 4.93 0.00 1.71 1.73 0.00 1.54 0.00 0.00 1.51 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.43 7.81 38 V 8.83 4.80 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.75 0.00 0.00 39 E 9.41 4.95 0.00 2.11 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.26 0.00 40 L 8.40 4.83 0.00 1.46 1.48 0.57 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 41 L 9.25 4.68 0.00 1.65 1.75 0.99 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.89 4.62 1.24 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.47 -0.29 0.00 0.00 43 G 8.33 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 8.02 4.95 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.86 0.00 0.00 0.00 0.00 0.00 2.45 2.33 0.00 45 T 8.77 4.85 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 46 L 8.50 4.86 0.00 1.55 1.51 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.65 4.87 0.00 1.84 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 48 V 8.86 4.61 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.85 0.00 0.00 49 D 8.51 4.72 0.00 2.77 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 C 8.64 4.36 0.00 3.11 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.29 4.61 0.00 2.89 2.71 0.00 0.00 7.00 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.22 4.38 0.00 1.57 1.59 0.91 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 53 H 9.16 5.48 0.00 2.97 3.17 0.00 5.70 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.47 4.78 0.00 1.85 1.97 0.00 2.75 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 55 L 9.01 4.53 0.00 1.62 1.72 1.03 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 56 G 9.97 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 7.59 4.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 7.93 4.63 0.00 1.72 1.50 0.00 1.52 0.00 0.00 1.58 0.00 0.00 3.13 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.40 7.81 59 L 8.72 5.38 0.00 1.88 1.61 1.11 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 60 E 9.39 4.82 0.00 1.91 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.23 0.00 61 N 8.82 4.85 0.00 2.87 2.69 0.00 0.00 6.86 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.32 4.42 0.00 0.79 0.94 0.00 1.62 0.00 0.00 1.53 0.00 0.00 2.74 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.09 1.04 7.81 63 T 8.29 4.88 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 64 L 9.60 4.51 0.00 2.06 1.74 0.90 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.94 4.21 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 66 G 9.20 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 W 7.74 4.27 0.00 2.96 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.30 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 7.92 5.02 0.00 3.03 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 D 8.76 5.50 0.00 2.53 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Y 8.59 4.87 0.00 3.07 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Y 9.47 5.25 0.00 2.96 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 9.18 4.97 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.13 0.00 0.00 74 F 9.41 5.49 0.00 3.03 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.26 4.62 0.00 2.63 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.42 3.85 0.00 1.88 1.93 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.33 0.98 7.81 77 V 7.68 4.60 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.86 0.00 0.00 78 S 8.36 4.91 0.00 3.80 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.67 4.56 0.00 3.76 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 5.09 0.00 2.00 2.07 0.00 3.73 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.99 0.00 81 V 8.41 4.33 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.92 0.00 0.00 82 S 8.38 5.54 0.00 3.58 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.32 4.27 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 84 M 8.18 4.49 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.43 0.00 85 M 8.07 4.54 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.73 0.00 86 H 8.51 4.54 0.00 3.14 3.24 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 C 8.18 5.00 0.00 2.92 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 P 0.00 4.49 0.00 2.19 2.12 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 89 D 7.32 4.91 0.00 2.70 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *93 E 8.23 4.25 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 94 K 8.47 4.77 0.00 1.65 1.78 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.43 7.81 95 K 9.09 4.64 0.00 1.77 1.58 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.40 7.81 96 F 9.01 4.67 0.00 2.97 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.62 4.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.94 0.00 0.00 98 T 8.22 4.50 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 99 A 8.65 5.01 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 8.57 4.42 0.00 2.90 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.13 4.17 0.00 1.51 1.53 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 102 G 6.44 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.58 4.28 0.00 2.66 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 A 7.53 4.10 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 G 7.52 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 M 7.27 4.66 0.00 1.66 1.87 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.37 0.00 107 L 8.81 4.52 0.00 1.47 1.54 0.59 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 108 R 8.22 4.77 0.00 1.86 1.94 0.00 3.08 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 109 Y 8.57 4.02 0.00 3.11 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 N 8.44 4.94 0.00 2.82 2.63 0.00 0.00 6.96 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 S 9.00 4.51 0.00 4.10 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.11 4.17 0.00 1.87 1.92 0.00 1.69 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.64 1.59 7.81 113 L 7.25 4.76 0.00 1.52 1.34 0.60 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 4.71 0.00 1.97 2.20 0.00 3.73 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.06 0.00 115 I 8.40 4.14 1.67 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.54 0.87 0.00 0.00 116 V 8.28 4.53 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.25 0.00 0.00 117 V 8.52 4.96 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.89 0.00 0.00 118 Y 9.50 5.68 0.00 3.14 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 T 8.36 5.37 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 120 P 0.00 4.81 0.00 2.45 2.07 0.00 3.87 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.17 0.00 121 D 8.79 4.48 0.00 2.74 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 N 8.07 4.56 0.00 2.98 2.98 0.00 0.00 5.98 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 V 7.72 4.22 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.12 0.00 0.00 124 D 9.26 5.05 0.00 2.85 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 V 8.61 4.88 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.90 0.00 0.00 126 K 9.08 4.92 0.00 1.66 1.48 0.00 1.07 0.00 0.00 1.33 0.00 0.00 2.39 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.09 1.03 7.81 127 Y 7.64 5.30 0.00 3.01 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 R 9.07 4.68 0.00 1.86 1.87 0.00 2.80 0.00 0.00 2.98 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.44 0.00 129 V 8.56 4.83 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.23 0.00 0.00 130 W 9.49 4.84 0.00 3.29 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.67 5.12 0.00 1.73 1.64 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.56 7.81 132 A 8.55 4.53 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 E 8.73 4.15 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 134 E 8.33 4.45 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.23 0.00 135 K 7.12 4.52 0.00 1.81 1.73 0.00 1.53 0.00 0.00 1.71 0.00 0.00 3.30 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.29 1.43 7.81 136 I 8.20 4.58 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.67 0.92 0.00 0.00 137 D 8.61 5.03 0.00 2.61 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 N 8.38 4.84 0.00 2.70 2.73 0.00 0.00 6.82 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 A 8.19 4.46 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 V 8.19 3.70 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.93 0.00 0.00 141 V 8.24 4.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.93 0.00 0.00 142 R 8.37 4.23 0.00 1.78 1.75 0.00 3.29 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.